1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione

C19H27N3O2 — CID 108523573

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
SMILESCCC1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-16-8-6-7-11-22(16)19(24)18(23)21-14-12-20(13-15-21)17-9-4-3-5-10-17/h3-5,9-10,16H,2,6-8,11-15H2,1H3
InChIKeyQIZJGLSLJDMMDT-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.13
Rot. Bonds2

About 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione

1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 108523573) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
PubChem CID108523573
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
SMILESCCC1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-16-8-6-7-11-22(16)19(24)18(23)21-14-12-20(13-15-21)17-9-4-3-5-10-17/h3-5,9-10,16H,2,6-8,11-15H2,1H3
InChIKeyQIZJGLSLJDMMDT-UHFFFAOYSA-N
XLogP2.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
1-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108523565
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261110
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
1-(2-ethylpiperidin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propane-1,3-dione
CID 108952190
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione (CID 108523573) is 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione is CCC1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is QIZJGLSLJDMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-16-8-6-7-11-22(16)19(24)18(23)21-14-12-20(13-15-21)17-9-4-3-5-10-17/h3-5,9-10,16H,2,6-8,11-15H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione?
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 329.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108523573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).